N-[[4-[(4-chlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine

C15H23ClN2O — CID 83100002

IUPACN-[[4-[(4-chlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1COCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O/c1-2-7-17-10-15-12-19-9-8-18(15)11-13-3-5-14(16)6-4-13/h3-6,15,17H,2,7-12H2,1H3
InChIKeyYJNMWMAOSLNJOX-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.54
Rot. Bonds6

About N-[[4-[(4-chlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine

N-[[4-[(4-chlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine (PubChem CID 83100002) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is N-[[4-[(4-chlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[(4-chlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
PubChem CID83100002
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC NameN-[[4-[(4-chlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1COCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O/c1-2-7-17-10-15-12-19-9-8-18(15)11-13-3-5-14(16)6-4-13/h3-6,15,17H,2,7-12H2,1H3
InChIKeyYJNMWMAOSLNJOX-UHFFFAOYSA-N
XLogP2.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[(2,6-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83100086
N-[[4-[(4-ethylphenyl)methyl]morpholin-3-yl]methyl]ethanamine
CID 83100237
N-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]propan-1-amine
CID 83100255
N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83099915
N-[[4-[(4-propan-2-ylphenyl)methyl]morpholin-3-yl]methyl]ethanamine
CID 83100725
N-[[4-(thiophen-2-ylmethyl)morpholin-3-yl]methyl]propan-1-amine
CID 83100890
N-[[(3R)-4-benzylmorpholin-3-yl]methyl]ethanamine
CID 99629716
N-[[4-(cyclopropylmethyl)morpholin-3-yl]methyl]propan-1-amine
CID 83100659
N-[[4-[(5-bromo-2-methoxyphenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83101094
2-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]-N-methylethanamine
CID 105347112
N-[(4-methylmorpholin-3-yl)methyl]propan-1-amine
CID 83100500
N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine
CID 83099905

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-chlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[(4-chlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine (CID 83100002) is N-[[4-[(4-chlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[(4-chlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[(4-chlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine is CCCNCC1COCCN1Cc1ccc(Cl)cc1.
What is the InChIKey of N-[[4-[(4-chlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine?
The InChIKey is YJNMWMAOSLNJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-2-7-17-10-15-12-19-9-8-18(15)11-13-3-5-14(16)6-4-13/h3-6,15,17H,2,7-12H2,1H3.
What are the key properties of N-[[4-[(4-chlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine?
N-[[4-[(4-chlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine has a molecular weight of 282.81 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-chlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 83100002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).